* LIGAND DATABASE FILE (OPLS2005)
*
001     104   106    204    323     615
    1     0 S   NP   _N1_     1    30.20275    99.92348   -15.31238
    2     1 S   H    _HN1     2     1.02774    59.06854  -102.79062
    3     1 S   H    _H1_     3     1.02958    66.11668    29.04751
    4     1 S   H    _H2_     4     1.02835    82.77273   141.28229
    5     1 S   CT   _CA1     5     1.50141   166.27696   -48.97360
    6     5 S   HC   _HA1     6     1.09565   105.22282  -109.96404
    7     5 S   CO3  _C1_     7     1.53809   112.40762   129.78554
    8     7 S   O2Z  _O11     8     1.26363   114.95995   -40.53584
    9     7 S   O2Z  _O12     9     1.26227   115.00445   138.63689
   10     5 S   CT   _CB1    10     1.53108   107.42673     8.11498
   11    10 S   HC   HB11    11     1.09819   109.45893   -48.69813
   12    10 S   HC   HB12    12     1.09824   110.36382    67.93890
   13    10 S   CT   _CG1    13     1.52995   112.64889  -169.73875
   14    13 S   HC   HG11    14     1.09525   110.39882   -62.36673
   15    13 S   HC   HG12    15     1.09647   109.98716    56.69775
   16    13 S   C    _CD1    16     1.51872   112.34646   176.96513
   17    16 S   O    _OE1    17     1.22739   123.24054    -4.61987
   18    16 S   N    _N2_    18     1.38496   111.67042   175.50464
   19    18 S   H    _HN2    19     1.01577   118.92720     4.51223
   20    18 S   CT1  _CA2    20     1.45890   123.30845   178.33976
   21    20 S   HC   _HA2    21     1.09684   109.39634    11.52866
   22    20 S   C    _C2_    22     1.52822   106.83561  -105.90029
   23    22 S   O    _O2_    23     1.22968   122.76386   -28.70197
   24    20 S   CT   _CB2    32     1.53137   111.79755   134.89281
   25    24 S   HC   HB21    33     1.09364   109.66178    55.42994
   26    24 S   HC   HB22    34     1.09558   110.37104   173.05740
   27    22 S   N    _N3_    24     1.38594   112.53323   154.48091
   28    27 S   H    _HN3    25     1.01534   119.76246     0.33572
   29    24 S   S    _SG2    35     1.83057   110.79462   -68.29660
   30    27 S   CT   _CA3    26     1.45446   122.81342   175.70773
   31    30 S   HC   HA31    27     1.09529   109.22970    29.69737
   32    30 S   HC   HA32    28     1.09493   107.32434   146.74795
   33    29 S   CT   _C10    36     1.88599   102.37169   137.23094
   34    30 S   CO3  _C3_    29     1.52803   112.40343   -93.47568
   35    34 S   O2Z  _O31    30     1.26430   115.17583   -57.12436
   36    34 S   O2Z  _O32    31     1.26305   115.34773   122.84571
   37    33 S   CT   _C9_    37     1.55559   108.68874   -68.90709
   38    37 S   HC   _H13    38     1.09846   109.47957   172.26909
   39    37 S   HC   _H14    39     1.09675   111.43572    57.15146
   40    33 S   CM   _C11    84     1.53388   107.55193    49.09243
   41    40 S   HC   _H15    85     1.09200   113.58716  -112.40024
   42    37 S   CT   _C8_    40     1.53189   114.86143   -66.37333
   43    42 S   HC   _H11    41     1.09321   108.81243    69.54140
   44    42 S   HC   _H12    42     1.09525   107.51473  -175.55794
   45    40 S   CMA  _C12    86     1.35658   130.35481    66.02115
   46    45 S   OM   _O33    87     1.26651   126.97122     2.22105
   47    42 S   CT   _C7_    43     1.54238   112.99917   -53.65228
   48    47 S   HC   _H5_    44     1.09912   106.43022   -62.35278
   49    45 S   OS   _O34    88     1.42000   109.60900  -178.35813
   50    47 S   CT   _C6_    45     1.54644   109.37877    53.63903
   51    50 S   HC   _H4_    46     1.09659   108.33888    62.08905
   52    49 S   CT   _C13    89     1.43446   112.82093   131.23147
   53    52 S   HC   _H16    90     1.09632   109.04530    80.50133
   54    52 S   HC   _H17    91     1.09634   111.40595   -39.36253
   55    50 S   CO4  _C24    47     1.52973   112.70900   175.49889
   56    55 S   O    _O35    48     1.23259   122.29204   146.96302
   57    33 S   CT   _C5_    78     1.57585   108.92656   173.24907
   58    57 S   HC   _H3_    79     1.09833   108.90668   -53.18306
   59    52 S   CT   _C14    92     1.52366   108.09185  -161.05823
   60    59 S   HC   _H18    93     1.09558   109.49645   -58.16433
   61    59 S   HC   _H19    94     1.09463   112.34749   179.72024
   62    55 S   CT   _C23    49     1.51288   117.63826   -40.98697
   63    62 S   HC   _H31    50     1.09420   106.56478   166.92236
   64    62 S   HC   _H32    51     1.09352   107.94367   -77.98371
   65    57 S   CT   _C4_    80     1.54865   111.66845  -169.79523
   66    65 S   HC   _H8_    81     1.09294   112.65984   -56.98242
   67    65 S   HC   _H9_    82     1.09334   111.90769  -177.83030
   68    65 S   HC   _H10    83     1.09409   111.24426    63.65069
   69    59 S   NP   _N4_    95     1.51896   110.71650    58.84779
   70    69 S   H    _H20    96     1.02981   106.53799   -45.75745
   71    62 S   CT   _C22    52     1.53546   111.56658    46.12740
   72    71 S   HC   _H7_    53     1.10320   105.37610    55.20898
   73    69 S   CT   _C15    97     1.50520   113.51947    71.75343
   74    73 S   HC   _H21    98     1.09283   108.46156    59.02058
   75    73 S   HC   _H22    99     1.09342   108.07873   179.38738
   76    73 S   HC   _H23   100     1.09132   108.59873   -62.27946
   77    69 S   CT   _C16   101     1.50391   111.53398  -161.93486
   78    77 S   HC   _H24   102     1.09326   108.56136   -62.84279
   79    77 S   HC   _H25   103     1.09319   108.15886    57.79960
   80    77 S   HC   _H26   104     1.09325   108.17942   176.50705
   81    47 S   CT   _C17    54     1.58488   114.11600  -178.65433
   82    81 S   CT   _C18    55     1.55165   109.16166    58.71353
   83    82 S   HC   _H27    56     1.09819   109.51484    45.47878
   84    82 S   HC   _H28    57     1.09599   110.55374   -71.27736
   85    81 S   CT   _C27    74     1.54792   110.13208   -60.08298
   86    85 S   HC   _H40    75     1.09245   112.97727   -59.41492
   87    85 S   HC   _H41    76     1.08844   112.77475   178.94575
   88    85 S   HC   _H42    77     1.09475   111.32993    60.96496
   89    82 S   CT   _C19    58     1.52251   113.90655   166.80247
   90    89 S   HC   _H29    59     1.09517   111.33227    66.36032
   91    89 S   HC   _H30    60     1.09764   109.08327  -178.42940
   92    89 S   CT   _C20    61     1.52389   111.37563   -57.73258
   93    92 S   HC   _H6_    62     1.09818   108.29051   -63.18654
   94    71 S   CT   _C21    63     1.57724   113.91392   168.51629
   95    92 S   OH   _O36    72     1.42726   108.85988  -178.75715
   96    95 S   HO   _H39    73     0.97238   107.64357    56.10609
   97    94 S   CT   _C25    64     1.55582   109.24720   -64.58034
   98    97 S   HC   _H33    65     1.09621   111.45032  -172.38645
   99    97 S   HC   _H34    66     1.09448   111.99496    68.22453
  100    97 S   HC   _H35    67     1.09575   111.25112   -52.66094
  101    94 S   CT   _C26    68     1.54431   114.19413    53.48618
  102   101 S   HC   _H36    69     1.09708   110.98243  -168.68864
  103   101 S   HC   _H37    70     1.08950   113.05111    72.46384
  104   101 S   HC   _H38    71     1.09404   111.93772   -50.04344
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  15   7   6  10   4  12   5   4   7   2  21   8
   7  16   7   9   5   4  11   5   7   4  12   5   4  11   5   4
   3   2   1   1   9   8  22   7   7   3   2   1   3   2   1   1
  14  13   6   5   5   2   1   1   9   5   4  12   5  10   3   1
   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    57    58    65    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    55    57    58    65    66    67    68    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    50    81    57    58    65    40    41    45  
   39    42    43    44    47    57    40  
   42    43    44    47    57    40  
   41    45    46    49    52    42    50    57    58    65  
   45    46    49    57  
   43    44    47    48    50    51    55    71    81    82    85    57  
   44    47    48    50    81  
   47    48    50    81  
   46    49    52    53    54    59    57  
   49    52  
   48    50    51    55    56    62    71    72    81    82    83    84    89    94    85    86    87    88    57    58    65  
   50    51    55    71    81    82    85    57  
   52    53    54    59    60    61    69  
   51    55    56    62    63    64    71    81    82    85    57    58    65    66    67    68  
   55    56    62    81    57    58    65  
   53    54    59    60    61    69    70    73    77  
   54    59    60    61    69  
   59    60    61    69  
   56    62    63    64    71    72    81    94    57    58    65  
   62    63    64    71    57  
   58    65    66    67    68    62    81  
   65    66    67    68  
   60    61    69    70    73    74    75    76    77    78    79    80  
   61    69    70    73    77  
   69    70    73    77  
   63    64    71    72    81    82    92    94    97   101    85  
   64    71    72    81    94  
   71    72    81    94  
   66    67    68  
   67    68  
   68  
    0  
   70    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    80  
   72    81    82    83    84    89    92    93    94    97    98    99   100   101   102   103   104    95    85    86    87    88  
   81    82    92    94    97   101    85  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    89    90    91    92    94    97   101    85    86    87    88  
   83    84    89    90    91    92    93    94    95    85    86    87    88  
   84    89    90    91    92    85  
   89    90    91    92    85  
   86    87    88    89    94  
   87    88  
   88  
    0  
   90    91    92    93    94    97   101    95    96  
   91    92    93    94    95  
   92    93    94    95  
   93    94    97    98    99   100   101   102   103   104    95    96  
   94    97   101    95    96  
   97    98    99   100   101   102   103   104    95    96  
   96    97   101  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    81   268.000  1.529
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    57   268.000  1.529
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    81   268.000  1.529
   71    94   268.000  1.529
   81    82   268.000  1.529
   81    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    95   320.000  1.410
   94    97   268.000  1.529
   94   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   95    96   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    58   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.080
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   367.000  1.471
   69    70   434.000  1.010
   69    73   367.000  1.471
   69    77   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    47    81    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    63.00000  111.10000
   47    50    57    58.35000  112.70000
   47    81    71    58.35000  112.70000
   47    81    82    58.35000  112.70000
   47    81    85    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    55    56    80.00000  120.40000
   50    55    62    70.00000  116.00000
   50    57    58    37.50000  110.70000
   50    57    65    58.35000  112.70000
   55    50    51    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    71    63.00000  111.10000
   62    55    56    80.00000  120.40000
   62    71    72    37.50000  110.70000
   62    71    81    58.35000  112.70000
   62    71    94    58.35000  112.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    81    82    58.35000  112.70000
   71    81    85    58.35000  112.70000
   71    94    92    58.35000  112.70000
   71    94    97    58.35000  112.70000
   71    94   101    58.35000  112.70000
   81    47    48    37.50000  110.70000
   81    47    50    58.35000  112.70000
   81    71    72    37.50000  110.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    89    58.35000  112.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    88    37.50000  110.70000
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    92    58.35000  112.70000
   84    82    83    33.00000  107.80000
   89    82    83    37.50000  110.70000
   89    82    84    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    95    50.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    97    58.35000  112.70000
   92    94   101    58.35000  112.70000
   92    95    96    55.00000  108.50000
   94    71    72    37.50000  110.70000
   94    71    81    58.35000  112.70000
   94    92    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   104    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    94    97    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    50.00000  109.50000
   85    81    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    50    51    37.50000  110.70000
   57    50    55    63.00000  111.10000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   65    57    58    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    70.00000  112.02700
   40    33    57    70.00000  112.02700
   40    45    46    65.00000  137.10300
   40    45    49    80.00000  120.01400
   45    40    41    40.00000  120.50800
   45    49    52    90.00000  111.18400
   49    45    46    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    69    80.00000  111.20000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    69    70    35.00000  109.50000
   59    69    73    75.00000  113.01200
   59    69    77    75.00000  113.01200
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   73    69    70    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    35.00000  109.50000
   77    69    73    75.00000  113.01200
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
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   59    69    77    78   0.15000  1.0 3.0
   59    69    77    79   0.15000  1.0 3.0
   59    69    77    80   0.15000  1.0 3.0
   60    59    69    70   0.13050  1.0 3.0
   60    59    69    73   0.15000  1.0 3.0
   60    59    69    77   0.15000  1.0 3.0
   61    59    69    70   0.13050  1.0 3.0
   61    59    69    73   0.15000  1.0 3.0
   61    59    69    77   0.15000  1.0 3.0
   70    69    73    74   0.13050  1.0 3.0
   70    69    73    75   0.13050  1.0 3.0
   70    69    73    76   0.13050  1.0 3.0
   70    69    77    78   0.13050  1.0 3.0
   70    69    77    79   0.13050  1.0 3.0
   70    69    77    80   0.13050  1.0 3.0
   73    69    77    78   0.15000  1.0 3.0
   73    69    77    79   0.15000  1.0 3.0
   73    69    77    80   0.15000  1.0 3.0
   77    69    73    74   0.15000  1.0 3.0
   77    69    73    75   0.15000  1.0 3.0
   77    69    73    76   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    62    55    56  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   46    49    45    40  15.00000 -1.0 2.0
END
